N-[5-[2-[(4-butyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[5-[2-[(4-butyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[5-[2-(4-butyl-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-[[2-(4-butyl-2-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-[2-(4-butyl-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[5-[[2-(4-butyl-2-methyl-anilino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitro-4-piperidino-benzamide Formula: C27H32N6O4S2 MolecularWeight: 568.71078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C27H32N6O4S2/c1-3-4-8-19-9-11-21(18(2)15-19)28-24(34)17-38-27-31-30-26(39-27)29-25(35)20-10-12-22(23(16-20)33(36)37)32-13-6-5-7-14-32/h9-12,15-16H,3-8,13-14,17H2,1-2H3,(H,28,34)(H,29,30,35)